N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C20H14F3N3S — CID 3235425

IUPACN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKeyQBDAEJRHUCSSPR-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.99
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3235425) has the molecular formula C20H14F3N3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3235425
Molecular FormulaC20H14F3N3S
Molecular Weight385.41 g/mol
Exact Mass385.09
IUPAC NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKeyQBDAEJRHUCSSPR-UHFFFAOYSA-N
XLogP5.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

WR 159412
CID 100475
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
N-tert-butyl-6-(thiophen-3-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330918
4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
2-(2-Methylphenylamino)-4-(N-methylphenylamino)thieno[3.2-d]pyrimidine
CID 10066220
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10406472
4-N-methyl-7-[2-methylsulfanyl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15981929
4-(4-Methylpiperazin-1-yl)-7-thiophen-3-ylquinazolin-2-amine
CID 49841846
N,N-dimethyl-N''-(2-{(E)-2-[4-(methylthio)phenyl]vinyl}quinazolin-4-yl)ethane-1,2-diamine
CID 121453044
N,N-dimethyl-N''-{2-[(E)-2-(2-thienyl)vinyl]benzo[g]quinazolin-4-yl}ethane-1,2-diamine
CID 121453101

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3235425) is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is QBDAEJRHUCSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 385.41 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3235425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).